SCHEMBL7314747

SCHEMBL7314747

CC(O)c1cc(Cl)c(OCCCC(=O)N(C)CC2CCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
BACE1 P56817 1/20 0.37
SCN9A Q15858 6/20 0.36
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
MEN1 O00255 2/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
PPARG P37231 2/20 0.33
NLRP1 Q9C000 1/20 0.33
KDM4E B2RXH2 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7315237 0.84 SIGMAR1 (0.39) SIGMAR1BACE1SCN9AKMT2AALDH1A1
SCHEMBL7315888 0.80 TDP1 (0.38) SCN9AKMT2ASIRT3MEN1SMN1; SMN2
SCHEMBL7320170 0.79 KMT2A (0.37) SIGMAR1KMT2AALDH1A1MAPTNPSR1
SCHEMBL7317566 0.78 THRB (0.44) KMT2AALDH1A1MAPTNPSR1LMNA
SCHEMBL7315902 0.76 HTR7 (0.34) KMT2AALDH1A1MAPTNPSR1LMNA
SCHEMBL7312450 0.73 LMNA (0.44) KMT2AALDH1A1MAPTNPSR1LMNA
SCHEMBL7315879 0.71 SIRT3 (0.36) ALDH1A1LMNASIRT3KDM4E
SCHEMBL10375971 0.71 HPGD (0.44) KMT2AALDH1A1MEN1HPGDTSHR
SCHEMBL26369296 0.69 TSHR (0.49) KMT2AALDH1A1MAPTLMNASIRT3
SCHEMBL7310447 0.69 PDE3B (0.55) KMT2AALDH1A1MEN1HPGDTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed